HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4484",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=4482",
"results": [
{
"id": "jvasp-9640",
"created_at": "2022-09-04T14:37:19.960658Z",
"updated_at": "2022-09-04T14:37:19.960682Z",
"structure_string": "Y2 Cu4 O8\n1.0\n5.419078 0.044923 3.055709\n1.805779 5.109557 3.055709\n0.062966 0.044923 6.220916\nY Cu O\n2 4 8\ndirect\n0.624988 0.624987 0.624988 Y\n0.375013 0.375013 0.375013 Y\n0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.000000 Cu\n0.000000 -0.000000 0.500000 Cu\n0.203920 0.765351 0.765352 O\n0.234649 0.234648 0.796082 O\n0.234649 0.796081 0.234649 O\n0.234661 0.234661 0.234661 O\n0.765352 0.765351 0.203919 O\n0.796082 0.234648 0.234649 O\n0.765353 0.203918 0.765352 O\n0.765340 0.765339 0.765339 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 5.461043945907995,
"density_atomic": 0.08221927443863182,
"volume": 170.2763749204519,
"volume_molar": 7.3244878419535375,
"formula_full": "Y2 Cu4 O8",
"formula_reduced": "Y(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.6860929071428572,
"spacegroup": 227
},
{
"id": "jvasp-9641",
"created_at": "2022-09-04T14:37:20.041494Z",
"updated_at": "2022-09-04T14:37:20.041521Z",
"structure_string": "Al2 Cu4 O8\n1.0\n5.082086 0.042206 2.865809\n1.693557 4.791789 2.865809\n0.059160 0.042206 5.834121\nAl Cu O\n2 4 8\ndirect\n0.625007 0.625007 0.625006 Al\n0.374994 0.374994 0.374993 Al\n0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 -0.000000 Cu\n-0.000000 0.000000 0.500000 Cu\n0.245050 0.751658 0.751656 O\n0.248343 0.248344 0.754950 O\n0.248344 0.754951 0.248343 O\n0.248341 0.248341 0.248341 O\n0.751658 0.751658 0.245049 O\n0.754951 0.248344 0.248343 O\n0.751657 0.245051 0.751656 O\n0.751660 0.751660 0.751658 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Cu",
"O"
],
"chemical_system": "Al-Cu-O",
"density": 5.156798057633157,
"density_atomic": 0.09968524394766183,
"volume": 140.44204985193676,
"volume_molar": 6.041155663080716,
"formula_full": "Al2 Cu4 O8",
"formula_reduced": "Al(CuO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.5002711,
"spacegroup": 227
},
{
"id": "jvasp-9642",
"created_at": "2022-09-04T14:37:20.087756Z",
"updated_at": "2022-09-04T14:37:20.087786Z",
"structure_string": "Sb4 O8\n1.0\n6.236846 -0.001082 0.000606\n3.119354 5.983345 -0.108060\n3.118154 1.889964 5.678671\nSb O\n4 8\ndirect\n0.499999 0.500000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n-0.000000 0.500000 -0.000000 Sb\n0.690051 0.294221 0.794237 O\n0.255916 0.301819 0.186345 O\n0.309948 0.705779 0.205763 O\n0.778515 0.705780 0.205759 O\n0.744082 0.698181 0.813655 O\n0.744067 0.313666 0.198199 O\n0.255932 0.686334 0.801801 O\n0.221484 0.294221 0.794241 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sb",
"O"
],
"chemical_system": "O-Sb",
"density": 4.790343401245907,
"density_atomic": 0.05628579748477999,
"volume": 213.19765440375735,
"volume_molar": 10.699219037677171,
"formula_full": "Sb4 O8",
"formula_reduced": "SbO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.5179710333333338,
"spacegroup": 74
},
{
"id": "jvasp-9643",
"created_at": "2022-09-04T14:37:19.548194Z",
"updated_at": "2022-09-04T14:37:19.548219Z",
"structure_string": "Ta2 Re2 O12\n1.0\n0.000000 5.249364 -0.001754\n7.475376 0.000000 0.000000\n0.000000 -0.005021 -5.417014\nTa Re O\n2 2 12\ndirect\n0.000000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.500000 0.000000 -0.000000 Re\n0.500000 0.500000 -0.000000 Re\n0.219518 0.455387 0.796465 O\n0.701852 0.543911 0.722976 O\n0.780482 0.544614 0.203534 O\n0.298148 0.043910 0.277023 O\n0.904325 0.250000 0.486122 O\n0.298148 0.456090 0.277023 O\n0.701852 0.956090 0.722976 O\n0.219518 0.044613 0.796465 O\n0.413039 0.750000 0.012030 O\n0.780482 0.955387 0.203534 O\n0.586960 0.250000 0.987968 O\n0.095674 0.750000 0.513877 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ta",
"Re",
"O"
],
"chemical_system": "O-Re-Ta",
"density": 7.236059658997494,
"density_atomic": 0.07526969560235203,
"volume": 212.56894786087102,
"volume_molar": 8.000750782645413,
"formula_full": "Ta2 Re2 O12",
"formula_reduced": "TaReO6",
"formula_anonymous": "ABC6",
"energy_above_hull": 3.819501025,
"spacegroup": 11
},
{
"id": "jvasp-9644",
"created_at": "2022-09-04T14:37:27.655693Z",
"updated_at": "2022-09-04T14:37:27.655721Z",
"structure_string": "Bi4 O8\n1.0\n6.585607 0.000220 0.000637\n3.292685 5.897008 -0.518193\n3.292427 1.472268 5.732981\nBi O\n4 8\ndirect\n0.576925 0.500019 0.500008 Bi\n-0.000018 -0.052397 0.552531 Bi\n0.500125 0.052418 0.447452 Bi\n0.422920 -0.000006 -0.000008 Bi\n0.803483 0.173278 0.305907 O\n0.717394 0.805982 0.673272 O\n0.282647 0.826733 0.694078 O\n0.680367 0.833226 0.204650 O\n0.196671 0.194026 0.326704 O\n0.281591 0.704731 0.333364 O\n0.718231 0.166746 0.795378 O\n0.319674 0.295237 0.666669 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 7.030971753793307,
"density_atomic": 0.0527118127982328,
"volume": 227.65295600689922,
"volume_molar": 11.424651212530287,
"formula_full": "Bi4 O8",
"formula_reduced": "BiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.395980433333334,
"spacegroup": 24
},
{
"id": "jvasp-96441",
"created_at": "2022-09-04T14:36:08.758921Z",
"updated_at": "2022-09-04T14:36:08.758958Z",
"structure_string": "Na4 Li2 B10 P4 O28\n1.0\n7.429393 0.000000 -3.581858\n0.000000 9.215722 0.000000\n-0.004434 0.000000 8.389570\nNa Li B P O\n4 2 10 4 28\ndirect\n0.603289 0.250000 0.537186 Na\n0.396711 0.750000 0.462814 Na\n0.837799 0.250000 0.961554 Na\n0.162201 0.750000 0.038446 Na\n0.016208 0.250000 0.716732 Li\n0.983793 0.750000 0.283268 Li\n0.391103 0.750000 0.799627 B\n0.608898 0.250000 0.200372 B\n0.584259 0.750000 0.116223 B\n0.415742 0.250000 0.883776 B\n0.053363 0.750000 0.649077 B\n0.277096 0.250000 0.095496 B\n0.722905 0.750000 0.904504 B\n0.733540 0.750000 0.454763 B\n0.266460 0.250000 0.545237 B\n0.946637 0.250000 0.350923 B\n0.151284 0.056454 0.272181 P\n0.848716 0.556454 0.727819 P\n0.151284 0.443546 0.272181 P\n0.848716 0.943546 0.727819 P\n0.846196 0.106129 0.733023 O\n0.229084 0.750000 0.655564 O\n0.770916 0.250000 0.344436 O\n0.539826 0.750000 0.768572 O\n0.460174 0.250000 0.231427 O\n0.734147 0.750000 0.084399 O\n0.265853 0.250000 0.915601 O\n0.913311 0.750000 0.471101 O\n0.086689 0.250000 0.528899 O\n0.588261 0.750000 0.279639 O\n0.411739 0.250000 0.720361 O\n0.153804 0.606128 0.266976 O\n0.846196 0.393871 0.733023 O\n0.297846 0.117828 0.450855 O\n0.181454 0.117583 0.112663 O\n0.818546 0.617583 0.887336 O\n0.818546 0.882417 0.887336 O\n0.181454 0.382417 0.112663 O\n0.034910 0.617817 0.750479 O\n0.965090 0.117817 0.249521 O\n0.965090 0.382183 0.249521 O\n0.034910 0.882183 0.750479 O\n0.588562 0.250000 0.026134 O\n0.702154 0.617828 0.549145 O\n0.702154 0.882172 0.549145 O\n0.297846 0.382172 0.450855 O\n0.153804 0.893871 0.266976 O\n0.411438 0.750000 0.973866 O\n",
"nsites": 48,
"nelements": 5,
"elements": [
"Na",
"Li",
"B",
"P",
"O"
],
"chemical_system": "B-Li-Na-O-P",
"density": 2.272299665682169,
"density_atomic": 0.08358522444264303,
"volume": 574.2641755175049,
"volume_molar": 7.204791038316168,
"formula_full": "Na4 Li2 B10 P4 O28",
"formula_reduced": "Na2LiB5(PO7)2",
"formula_anonymous": "AB2C2D5E14",
"energy_above_hull": 3.1577787881944444,
"spacegroup": 11
},
{
"id": "jvasp-9645",
"created_at": "2022-09-04T14:37:27.472622Z",
"updated_at": "2022-09-04T14:37:27.472645Z",
"structure_string": "Al2 Sn4 O8\n1.0\n5.751144 0.334241 3.701485\n2.187401 5.329411 3.701485\n0.468493 0.334241 6.823280\nAl Sn O\n2 4 8\ndirect\n0.637116 0.637117 0.637119 Al\n0.362882 0.362883 0.362884 Al\n-0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.500000 -0.000000 0.000001 Sn\n-0.000000 -0.000000 0.500000 Sn\n0.274014 0.763509 0.763511 O\n0.236490 0.236490 0.725986 O\n0.236490 0.725985 0.236491 O\n0.262588 0.262589 0.262589 O\n0.763509 0.763509 0.274016 O\n0.725985 0.236490 0.236491 O\n0.763509 0.274014 0.763511 O\n0.737410 0.737411 0.737413 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Sn",
"O"
],
"chemical_system": "Al-O-Sn",
"density": 5.707908803500974,
"density_atomic": 0.07326962333957668,
"volume": 191.0750917213721,
"volume_molar": 8.219150700542954,
"formula_full": "Al2 Sn4 O8",
"formula_reduced": "Al(SnO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.7256686,
"spacegroup": 166
},
{
"id": "jvasp-96452",
"created_at": "2022-09-04T14:36:13.440406Z",
"updated_at": "2022-09-04T14:36:13.440432Z",
"structure_string": "Pr4 Ta4 O16\n1.0\n5.556833 0.000000 0.000000\n0.000000 7.535807 -1.376601\n0.000000 0.014008 7.795707\nPr Ta O\n4 4 16\ndirect\n0.276022 0.653995 0.400632 Pr\n0.776022 0.346006 0.099368 Pr\n0.723978 0.346006 0.599368 Pr\n0.223978 0.653995 0.900632 Pr\n0.768272 0.834008 0.196136 Ta\n0.231728 0.165993 0.803864 Ta\n0.731728 0.834008 0.696136 Ta\n0.268272 0.165993 0.303864 Ta\n0.091499 0.941443 0.297417 O\n0.591499 0.058557 0.202583 O\n0.908500 0.058557 0.702583 O\n0.408501 0.941443 0.797417 O\n0.510286 0.667607 0.131034 O\n0.346829 0.166005 0.555084 O\n0.846829 0.833995 0.944917 O\n0.514731 0.616520 0.669661 O\n0.014731 0.383481 0.830340 O\n0.485268 0.383481 0.330339 O\n0.985268 0.616520 0.169661 O\n0.989714 0.667607 0.631033 O\n0.489714 0.332394 0.868968 O\n0.010286 0.332394 0.368967 O\n0.153171 0.166005 0.055084 O\n0.653170 0.833995 0.444917 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pr",
"Ta",
"O"
],
"chemical_system": "O-Pr-Ta",
"density": 7.848306664489082,
"density_atomic": 0.07349471154094199,
"volume": 326.55410840860606,
"volume_molar": 8.193978360803857,
"formula_full": "Pr4 Ta4 O16",
"formula_reduced": "PrTaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7667738416666667,
"spacegroup": 14
},
{
"id": "jvasp-96458",
"created_at": "2022-09-04T14:36:17.766833Z",
"updated_at": "2022-09-04T14:36:17.766864Z",
"structure_string": "Pr2 Tl2 Mo4 O16\n1.0\n6.314938 0.000000 0.000000\n-0.000000 6.314938 0.000000\n0.000000 0.000000 9.675129\nPr Tl Mo O\n2 2 4 16\ndirect\n0.250000 0.250000 0.750000 Pr\n0.750000 0.750000 0.250000 Pr\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n0.250000 0.750000 0.000000 Mo\n0.750000 0.250000 0.000000 Mo\n0.250000 0.750000 0.500000 Mo\n0.750000 0.250000 0.500000 Mo\n0.941779 0.368857 0.610616 O\n0.558221 0.131143 0.610616 O\n0.368857 0.941779 0.889384 O\n0.368857 0.558221 0.610616 O\n0.058221 0.631143 0.389384 O\n0.941779 0.131143 0.889384 O\n0.131143 0.558221 0.889384 O\n0.868857 0.441779 0.110616 O\n0.058221 0.868857 0.110616 O\n0.441779 0.631143 0.110616 O\n0.868857 0.058221 0.389384 O\n0.631143 0.441779 0.389384 O\n0.631143 0.058221 0.110616 O\n0.441779 0.868857 0.389384 O\n0.558221 0.368857 0.889384 O\n0.131143 0.941779 0.610616 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Pr",
"Tl",
"Mo",
"O"
],
"chemical_system": "Mo-O-Pr-Tl",
"density": 5.7255114421267574,
"density_atomic": 0.06220371106868879,
"volume": 385.82907012570143,
"volume_molar": 9.681320706653688,
"formula_full": "Pr2 Tl2 Mo4 O16",
"formula_reduced": "PrTl(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.0817626875,
"spacegroup": 126
},
{
"id": "jvasp-96459",
"created_at": "2022-09-04T14:35:41.737556Z",
"updated_at": "2022-09-04T14:35:41.737592Z",
"structure_string": "La2 Ag2 Ge2\n1.0\n4.589043 -0.000000 -0.000000\n-2.294521 3.974227 0.000000\n0.000000 -0.000000 7.908728\nLa Ag Ge\n2 2 2\ndirect\n0.000000 0.000000 0.243241 La\n0.000000 0.000000 0.743241 La\n0.666667 0.333333 0.509552 Ag\n0.333333 0.666668 0.009552 Ag\n0.666667 0.333333 0.956808 Ge\n0.333333 0.666668 0.456808 Ge\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ag",
"Ge"
],
"chemical_system": "Ag-Ge-La",
"density": 7.354466192023086,
"density_atomic": 0.0415977474962137,
"volume": 144.23857927754696,
"volume_molar": 14.477083790530115,
"formula_full": "La2 Ag2 Ge2",
"formula_reduced": "LaAgGe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.4908960699999999,
"spacegroup": 186
},
{
"id": "jvasp-9646",
"created_at": "2022-09-04T14:37:27.574465Z",
"updated_at": "2022-09-04T14:37:27.574486Z",
"structure_string": "Sn4 O8\n1.0\n5.525744 0.000132 3.190180\n1.842135 5.209605 3.190317\n-0.000068 0.000119 6.380551\nSn O\n4 8\ndirect\n0.499961 -0.000000 0.500047 Sn\n0.499981 0.499955 0.000001 Sn\n0.000000 0.500036 0.500019 Sn\n0.500057 0.500008 0.499937 Sn\n0.265716 0.265748 0.265800 O\n0.702739 0.265725 0.265752 O\n0.265775 0.702742 0.265712 O\n0.265770 0.265780 0.702732 O\n0.734261 0.734277 0.297263 O\n0.734274 0.297252 0.734235 O\n0.297256 0.734226 0.734219 O\n0.734209 0.734245 0.734287 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Sn",
"O"
],
"chemical_system": "O-Sn",
"density": 5.450022094241817,
"density_atomic": 0.06533288077665612,
"volume": 183.67474168210381,
"volume_molar": 9.217626237218903,
"formula_full": "Sn4 O8",
"formula_reduced": "SnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.0378362333333335,
"spacegroup": 227
},
{
"id": "jvasp-96463",
"created_at": "2022-09-04T14:35:44.742695Z",
"updated_at": "2022-09-04T14:35:44.742720Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Sr",
"Cl",
"O"
],
"chemical_system": "Cl-O-Sr",
"density": 3.431081473147026,
"density_atomic": 0.03924171820730903,
"volume": 560.6278472256689,
"volume_molar": 15.346271863494335,
"formula_full": "Sr8 Cl12 O2",
"formula_reduced": "Sr4Cl6O",
"formula_anonymous": "AB4C6",
"energy_above_hull": 0.0,
"spacegroup": 186
}
]
}